(2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate

C15H9Cl3N2O4 — CID 7351715

IUPAC(2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C15H9Cl3N2O4/c16-9-6-19-13(12(18)11(9)17)15(23)24-7-10(21)20-14(22)8-4-2-1-3-5-8/h1-6H,7H2,(H,20,21,22)
InChIKeyOBGWCVXDTGLEBG-UHFFFAOYSA-N
MW387.61 g/mol
LogP3.16
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate

(2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 7351715) has the molecular formula C15H9Cl3N2O4 and a molecular weight of 387.61 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate
PubChem CID7351715
Molecular FormulaC15H9Cl3N2O4
Molecular Weight387.61 g/mol
Exact Mass385.96
IUPAC Name(2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C15H9Cl3N2O4/c16-9-6-19-13(12(18)11(9)17)15(23)24-7-10(21)20-14(22)8-4-2-1-3-5-8/h1-6H,7H2,(H,20,21,22)
InChIKeyOBGWCVXDTGLEBG-UHFFFAOYSA-N
XLogP3.16
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate (CID 7351715) is (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate is O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is OBGWCVXDTGLEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O4/c16-9-6-19-13(12(18)11(9)17)15(23)24-7-10(21)20-14(22)8-4-2-1-3-5-8/h1-6H,7H2,(H,20,21,22).
What are the key properties of (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate?
(2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 387.61 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 7351715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).